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BDBM50257750 CHEMBL494325::N-allyl-6-bromoquinazolin-4-amine::SMER28 (2)::cid_1560402

SMILES: Brc1ccc2ncnc(NCC=C)c2c1

InChI Key: InChIKey=BCPOLXUSCUFDGE-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50257750   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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n/an/a 6.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


Citation and Details
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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Article
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n/an/an/an/a 5.00E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Huntingtin protein (unknown origin) aggregation by yeast based assay


Bioorg Med Chem Lett 19: 1715-7 (2009)

More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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Article
PubMed
n/an/a 5.36E+3n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Huntingtin protein aggregation by cell based assay


Bioorg Med Chem Lett 19: 1715-7 (2009)

More data for this
Ligand-Target Pair
PvdQ


(Pseudomonas aeruginosa)
BDBM50257750
PNG
(CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...)
Show SMILES Brc1ccc2ncnc(NCC=C)c2c1
Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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Article
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n/an/a 6.50E+4n/an/an/an/an/an/a



The Broad Institute , Cambridge, Massachusetts 02142, United States



Assay Description
The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...


ACS Chem Biol 9: 1536-44 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)